N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide
Formula:C19H13N3O2S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C19H13N3O2S2 |
| Smiles | O=C(c1ccccc1)N/N=C\c(o1)ccc1Sc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C19H13N3O2S2/c23-18(13-6-2-1-3-7-13)22-20-12-14-10-11-17(24-14)26-19-21-15-8-4-5-9-16(15)25-19/h1-12H,(H,22,23) |
| InChIK | DWNJATRJOBRFNH-UHFFFAOYSA-N |
| TotalMolweight | 379.463 |
| Molweight | 379.463 |
| MonoisotopicMass | 379.044917 |
| CLogP | 4.8107 |
| CLogS | -5.788 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 283.23 |
| Relative PSA | 0.34933 |
| PolarSurfaceArea | 121.03 |
| Druglikeness | 6.6853 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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